3-(2-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C13H12N4S — CID 79205858

IUPAC3-(2-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCSc1ccccc1-c1nnc2ccc(N)cn12
InChIInChI=1S/C13H12N4S/c1-18-11-5-3-2-4-10(11)13-16-15-12-7-6-9(14)8-17(12)13/h2-8H,14H2,1H3
InChIKeySYLKYRLDJRBQMH-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.70
Rot. Bonds2

About 3-(2-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-(2-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 79205858) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-(2-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(2-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID79205858
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name3-(2-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCSc1ccccc1-c1nnc2ccc(N)cn12
InChIInChI=1S/C13H12N4S/c1-18-11-5-3-2-4-10(11)13-16-15-12-7-6-9(14)8-17(12)13/h2-8H,14H2,1H3
InChIKeySYLKYRLDJRBQMH-UHFFFAOYSA-N
XLogP2.70
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-(2-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 79205858) is 3-(2-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-(2-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-(2-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is CSc1ccccc1-c1nnc2ccc(N)cn12.
What is the InChIKey of 3-(2-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is SYLKYRLDJRBQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-18-11-5-3-2-4-10(11)13-16-15-12-7-6-9(14)8-17(12)13/h2-8H,14H2,1H3.
What are the key properties of 3-(2-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-(2-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 256.33 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 79205858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).